{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5986029 -0.0989564 -3.1037021 ] [ 0.4980134 0.5953064 1.757687 ] [ -0.3962988 0.6191824 0.3789174 ] [ -0.1225619 -0.4570727 0.6950109 ] [ -1.1136396 0.3925928 1.4642888 ] [ 0.6197213 0.5983664 0.6788951 ] [ -0.0361012 1.5824894 -1.808116 ] [ -0.0477362 -3.2319083 -0.062981 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.590675715230804e-10 -1.585456305585331e-10 -4.972678942547864e-09 ] [ 7.979054263251187e-10 9.537859962926131e-10 2.81612501808409e-09 ] [ -6.34940672211095e-10 9.92039565290834e-10 6.070925994943219e-10 ] [ -1.963658107808275e-10 -7.323111939459321e-10 1.113530215181167e-09 ] [ -1.784247331117064e-09 6.290030056544102e-10 2.346049281459287e-09 ] [ 9.929029782717831e-10 9.586886567522612e-10 1.087709857195678e-09 ] [ -5.784049862282496e-11 2.535427519343819e-09 -2.896921182894413e-09 ] [ -7.648182360583296e-11 -5.178087918829473e-09 -1.009066857546048e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.870321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.747058968679127e-18 } }